KEGG   DRUG: GlasdegibHelp
Entry
D10636                      Drug                                   

Name
Glasdegib (USAN/INN)
Formula
C21H22N6O
Exact mass
374.1855
Mol weight
374.439
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01566  Smoothened (Smo) antagonist
Remark
Chemical structure group: DG02912
Efficacy
Antineoplastic, Smoothened receptor antagonist
Comment
Headgehog singaling inhibitor
Target
SMO [HSA:6608] [KO:K06226]
  Pathway
hsa04340  Hedgehog signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Signaling molecules
   Hedgehog signaling
    SMO
     D10636  Glasdegib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1095173-27-5
PubChem: 254741597
ChEMBL: CHEMBL2043437
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    17.9200  -15.5400
            2   C8x C    12.1800  -14.8400
            3   C8x C    12.1800  -16.2400
            4   C8x C    13.3700  -16.9400
            5   C8y C    14.6300  -16.2400
            6   C8y C    14.6300  -14.8400
            7   C8x C    13.3700  -14.1400
            8   N4x N    15.9600  -16.6600
            9   C8y C    16.7300  -15.5400
            10  N5x N    15.9600  -14.4200
            11  C1x C    18.6200  -16.7300
            12  C1y C    20.0200  -16.7300
            13  C1x C    20.7200  -15.5400
            14  C1x C    20.0200  -14.3500
            15  N1y N    18.6200  -14.3500
            16  N1b N    20.7200  -17.9900
            17  C5a C    22.1200  -17.9900
            18  O5a O    22.8200  -16.7300
            19  N1b N    22.8200  -19.1800
            20  C8y C    24.2200  -19.1800
            21  C8x C    24.9200  -20.3700
            22  C8x C    26.3200  -20.3700
            23  C8y C    27.0200  -19.1800
            24  C8x C    26.3200  -17.9900
            25  C8x C    24.9200  -17.9900
            26  C3b C    28.4200  -19.1800
            27  N3a N    29.8200  -19.1800
            28  C1a C    17.9200  -13.0900
BOND        31
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 2
            10    6  10 1
            11    1   9 1 #Down
            12    1  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    1  15 1
            18   12  16 1 #Up
            19   16  17 1
            20   17  18 2
            21   17  19 1
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   23  26 1
            30   26  27 3
            31   15  28 1

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